We analyze the performance of graph neural network (GNN) architectures from the perspective of random graph theory. Our approach promises to complement existing lenses on GNN analysis, such as combinatorial expressive power and worst-case adversarial analysis, by connecting the performance of GNNs to typical-case properties of the training data. First, we theoretically characterize the nodewise accuracy of one- and two-layer GCNs relative to the contextual stochastic block model (cSBM) and related models. We additionally prove that GCNs cannot beat linear models under certain circumstances. Second, we numerically map the recoverability thresholds, in terms of accuracy, of four diverse GNN architectures (GCN, GAT, SAGE, and Graph Transformer) under a variety of assumptions about the data. Sample results of this second analysis include: heavy-tailed degree distributions enhance GNN performance, GNNs can work well on strongly heterophilous graphs, and SAGE and Graph Transformer can perform well on arbitrarily noisy edge data, but no architecture handled sufficiently noisy feature data well. Finally, we show how both specific higher-order structures in synthetic data and the mix of empirical structures in real data have dramatic effects (usually negative) on GNN performance.
The effect of underrepresentation on the performance of minority groups is known to be a serious problem in supervised learning settings; however, it has been underexplored so far in the context of self-supervised learning (SSL). In this paper, we demonstrate that contrastive learning (CL), a popular variant of SSL, tends to collapse representations of minority groups with certain majority groups. We refer to this phenomenon as representation harm and demonstrate it on image and text datasets using the corresponding popular CL methods. Furthermore, our causal mediation analysis of allocation harm on a downstream classification task reveals that representation harm is partly responsible for it, thus emphasizing the importance of studying and mitigating representation harm. Finally, we provide a theoretical explanation for representation harm using a stochastic block model that leads to a representational neural collapse in a contrastive learning setting.
A popular heuristic method for improving clustering results is to apply dimensionality reduction before running clustering algorithms. It has been observed that spectral-based dimensionality reduction tools, such as PCA or SVD, improve the performance of clustering algorithms in many applications. This phenomenon indicates that spectral method not only serves as a dimensionality reduction tool, but also contributes to the clustering procedure in some sense. It is an interesting question to understand the behavior of spectral steps in clustering problems. As an initial step in this direction, this paper studies the power of vanilla-SVD algorithm in the stochastic block model (SBM). We show that, in the symmetric setting, vanilla-SVD algorithm recovers all clusters correctly. This result answers an open question posed by Van Vu (Combinatorics Probability and Computing, 2018) in the symmetric setting.
We present DYMAG, a graph neural network based on a novel form of message aggregation. Standard message-passing neural networks, which often aggregate local neighbors via mean-aggregation, can be regarded as convolving with a simple rectangular waveform which is non-zero only on 1-hop neighbors of every vertex. Here, we go beyond such local averaging. We will convolve the node features with more sophisticated waveforms generated using dynamics such as the heat equation, wave equation, and the Sprott model (an example of chaotic dynamics). Furthermore, we use snapshots of these dynamics at different time points to create waveforms at many effective scales. Theoretically, we show that these dynamic waveforms can capture salient information about the graph including connected components, connectivity, and cycle structures even with no features. Empirically, we test DYMAG on both real and synthetic benchmarks to establish that DYMAG outperforms baseline models on recovery of graph persistence, generating parameters of random graphs, as well as property prediction for proteins, molecules and materials. Our code is available at https://github.com/KrishnaswamyLab/DYMAG.
Community detection is an important content in complex network analysis. The existing community detection methods in attributed networks mostly focus on only using network structure, while the methods of integrating node attributes is mainly for the traditional community structures, and cannot detect multipartite structures and mixture structures in network. In addition, the model-based community detection methods currently proposed for attributed networks do not fully consider unique topology information of nodes, such as betweenness centrality and clustering coefficient. Therefore, a stochastic block model that integrates betweenness centrality and clustering coefficient of nodes for community detection in attributed networks, named BCSBM, is proposed in this paper. Different from other generative models for attributed networks, the generation process of links and attributes in BCSBM model follows the Poisson distribution, and the probability between community is considered based on the stochastic block model. Moreover, the betweenness centrality and clustering coefficient of nodes are introduced into the process of links and attributes generation. Finally, the expectation maximization algorithm is employed to estimate the parameters of the BCSBM model, and the node-community memberships is obtained through the hard division process, so the community detection is completed. By experimenting on six real-work networks containing different network structures, and comparing with the community detection results of five algorithms, the experimental results show that the BCSBM model not only inherits the advantages of the stochastic block model and can detect various network structures, but also has good data fitting ability due to introducing the betweenness centrality and clustering coefficient of nodes. Overall, the performance of this model is superior to other five compared algorithms.
Graphon estimation has been one of the most fundamental problems in network analysis and has received considerable attention in the past decade. From the statistical perspective, the minimax error rate of graphon estimation has been established by Gao et al (2015) for both stochastic block model and nonparametric graphon estimation. The statistical optimal estimators are based on constrained least squares and have computational complexity exponential in the dimension. From the computational perspective, the best-known polynomial-time estimator is based universal singular value thresholding, but it can only achieve a much slower estimation error rate than the minimax one. The computational optimality of the USVT or the existence of a computational barrier in graphon estimation has been a long-standing open problem. In this work, we provide rigorous evidence for the computational barrier in graphon estimation via low-degree polynomials. Specifically, in SBM graphon estimation, we show that for low-degree polynomial estimators, their estimation error rates cannot be significantly better than that of the USVT under a wide range of parameter regimes and in nonparametric graphon estimation, we show low-degree polynomial estimators achieve estimation error rates strictly slower than the minimax rate. Our results are proved based on the recent development of low-degree polynomials by Schramm and Wein (2022), while we overcome a few key challenges in applying it to the general graphon estimation problem. By leveraging our main results, we also provide a computational lower bound on the clustering error for community detection in SBM with a growing number of communities and this yields a new piece of evidence for the conjectured Kesten-Stigum threshold for efficient community recovery. Finally, we extend our computational lower bounds to sparse graphon estimation and biclustering.
We study graph clustering in the Stochastic Block Model (SBM) in the presence of both large clusters and small, unrecoverable clusters. Previous convex relaxation approaches achieving exact recovery do not allow any small clusters of size $o(\sqrt{n})$, or require a size gap between the smallest recovered cluster and the largest non-recovered cluster. We provide an algorithm based on semidefinite programming (SDP) which removes these requirements and provably recovers large clusters regardless of the remaining cluster sizes. Mid-sized clusters pose unique challenges to the analysis, since their proximity to the recovery threshold makes them highly sensitive to small noise perturbations and precludes a closed-form candidate solution. We develop novel techniques, including a leave-one-out-style argument which controls the correlation between SDP solutions and noise vectors even when the removal of one row of noise can drastically change the SDP solution. We also develop improved eigenvalue perturbation bounds of potential independent interest. Our results are robust to certain semirandom settings that are challenging for alternative algorithms. Using our gap-free clustering procedure, we obtain efficient algorithms for the problem of clustering with a faulty oracle with superior query complexities, notably achieving $o(n^2)$ sample complexity even in the presence of a large number of small clusters. Our gap-free clustering procedure also leads to improved algorithms for recursive clustering.
Community detection is one of the most critical problems in modern network science. Its applications can be found in various fields, from protein modeling to social network analysis. Recently, many papers appeared studying the problem of overlapping community detection, where each node of a network may belong to several communities. In this work, we consider Mixed-Membership Stochastic Block Model (MMSB) first proposed by Airoldi et al. MMSB provides quite a general setting for modeling overlapping community structure in graphs. The central question of this paper is to reconstruct relations between communities given an observed network. We compare different approaches and establish the minimax lower bound on the estimation error. Then, we propose a new estimator that matches this lower bound. Theoretical results are proved under fairly general conditions on the considered model. Finally, we illustrate the theory in a series of experiments.
Consider the spiked Wigner model \[ X = \sum_{i = 1}^k \lambda_i u_i u_i^\top + \sigma G, \] where $G$ is an $N \times N$ GOE random matrix, and the eigenvalues $\lambda_i$ are all spiked, i.e. above the Baik-Ben Arous-P\'ech\'e (BBP) threshold $\sigma$. We consider AIC-type model selection criteria of the form \[ -2 \, (\text{maximised log-likelihood}) + \gamma \, (\text{number of parameters}) \] for estimating the number $k$ of spikes. For $\gamma > 2$, the above criterion is strongly consistent provided $\lambda_k > \lambda_{\gamma}$, where $\lambda_{\gamma}$ is a threshold strictly above the BBP threshold, whereas for $\gamma < 2$, it almost surely overestimates $k$. Although AIC (which corresponds to $\gamma = 2$) is not strongly consistent, we show that taking $\gamma = 2 + \delta_N$, where $\delta_N \to 0$ and $\delta_N \gg N^{-2/3}$, results in a weakly consistent estimator of $k$. We further show that a soft minimiser of AIC, where one chooses the least complex model whose AIC score is close to the minimum AIC score, is strongly consistent. Based on a spiked (generalised) Wigner representation, we also develop similar model selection criteria for consistently estimating the number of communities in a balanced stochastic block model under some sparsity restrictions.
We introduce the nested stochastic block model (NSBM) to cluster a collection of networks while simultaneously detecting communities within each network. NSBM has several appealing features including the ability to work on unlabeled networks with potentially different node sets, the flexibility to model heterogeneous communities, and the means to automatically select the number of classes for the networks and the number of communities within each network. This is accomplished via a Bayesian model, with a novel application of the nested Dirichlet process (NDP) as a prior to jointly model the between-network and within-network clusters. The dependency introduced by the network data creates nontrivial challenges for the NDP, especially in the development of efficient samplers. For posterior inference, we propose several Markov chain Monte Carlo algorithms including a standard Gibbs sampler, a collapsed Gibbs sampler, and two blocked Gibbs samplers that ultimately return two levels of clustering labels from both within and across the networks. Extensive simulation studies are carried out which demonstrate that the model provides very accurate estimates of both levels of the clustering structure. We also apply our model to two social network datasets that cannot be analyzed using any previous method in the literature due to the anonymity of the nodes and the varying number of nodes in each network.
Despite a surge in interest in GNN development, homogeneity in benchmarking datasets still presents a fundamental issue to GNN research. GraphWorld is a recent solution which uses the Stochastic Block Model (SBM) to generate diverse populations of synthetic graphs for benchmarking any GNN task. Despite its success, the SBM imposed fundamental limitations on the kinds of graph structure GraphWorld could create. In this work we examine how two additional synthetic graph generators can improve GraphWorld's evaluation; LFR, a well-established model in the graph clustering literature and CABAM, a recent adaptation of the Barabasi-Albert model tailored for GNN benchmarking. By integrating these generators, we significantly expand the coverage of graph space within the GraphWorld framework while preserving key graph properties observed in real-world networks. To demonstrate their effectiveness, we generate 300,000 graphs to benchmark 11 GNN models on a node classification task. We find GNN performance variations in response to homophily, degree distribution and feature signal. Based on these findings, we classify models by their sensitivity to the new generators under these properties. Additionally, we release the extensions made to GraphWorld on the GitHub repository, offering further evaluation of GNN performance on new graphs.
Modern multi-layer networks are commonly stored and analyzed in a local and distributed fashion because of the privacy, ownership, and communication costs. The literature on the model-based statistical methods for community detection based on these data is still limited. This paper proposes a new method for consensus community detection and estimation in a multi-layer stochastic block model using locally stored and computed network data with privacy protection. A novel algorithm named privacy-preserving Distributed Spectral Clustering (ppDSC) is developed. To preserve the edges' privacy, we adopt the randomized response (RR) mechanism to perturb the network edges, which satisfies the strong notion of differential privacy. The ppDSC algorithm is performed on the squared RR-perturbed adjacency matrices to prevent possible cancellation of communities among different layers. To remove the bias incurred by RR and the squared network matrices, we develop a two-step bias-adjustment procedure. Then we perform eigen-decomposition on the debiased matrices, aggregation of the local eigenvectors using an orthogonal Procrustes transformation, and k-means clustering. We provide theoretical analysis on the statistical errors of ppDSC in terms of eigen-vector estimation. In addition, the blessings and curses of network heterogeneity are well-explained by our bounds.
In this paper, we investigate the problem of recovering hidden communities in the Labeled Stochastic Block Model (LSBM) with a finite number of clusters whose sizes grow linearly with the total number of nodes. We derive the necessary and sufficient conditions under which the expected number of misclassified nodes is less than $ s $, for any number $ s = o(n) $. To achieve this, we propose IAC (Instance-Adaptive Clustering), the first algorithm whose performance matches the instance-specific lower bounds both in expectation and with high probability. IAC is a novel two-phase algorithm that consists of a one-shot spectral clustering step followed by iterative likelihood-based cluster assignment improvements. This approach is based on the instance-specific lower bound and notably does not require any knowledge of the model parameters, including the number of clusters. By performing the spectral clustering only once, IAC maintains an overall computational complexity of $ \mathcal{O}(n\, \text{polylog}(n)) $, making it scalable and practical for large-scale problems.
We study how to train personalized models for different tasks on decentralized devices with limited local data. We propose "Structured Cooperative Learning (SCooL)", in which a cooperation graph across devices is generated by a graphical model prior to automatically coordinate mutual learning between devices. By choosing graphical models enforcing different structures, we can derive a rich class of existing and novel decentralized learning algorithms via variational inference. In particular, we show three instantiations of SCooL that adopt Dirac distribution, stochastic block model (SBM), and attention as the prior generating cooperation graphs. These EM-type algorithms alternate between updating the cooperation graph and cooperative learning of local models. They can automatically capture the cross-task correlations among devices by only monitoring their model updating in order to optimize the cooperation graph. We evaluate SCooL and compare it with existing decentralized learning methods on an extensive set of benchmarks, on which SCooL always achieves the highest accuracy of personalized models and significantly outperforms other baselines on communication efficiency. Our code is available at https://github.com/ShuangtongLi/SCooL.
The contextual stochastic block model (cSBM) was proposed for unsupervised community detection on attributed graphs where both the graph and the high-dimensional node information correlate with node labels. In the context of machine learning on graphs, the cSBM has been widely used as a synthetic dataset for evaluating the performance of graph-neural networks (GNNs) for semi-supervised node classification. We consider a probabilistic Bayes-optimal formulation of the inference problem and we derive a belief-propagation-based algorithm for the semi-supervised cSBM; we conjecture it is optimal in the considered setting and we provide its implementation. We show that there can be a considerable gap between the accuracy reached by this algorithm and the performance of the GNN architectures proposed in the literature. This suggests that the cSBM, along with the comparison to the performance of the optimal algorithm, readily accessible via our implementation, can be instrumental in the development of more performant GNN architectures.
Consider the unsupervised classification problem in random hypergraphs under the non-uniform Hypergraph Stochastic Block Model (HSBM) with two equal-sized communities, where each edge appears independently with some probability depending only on the labels of its vertices. In this paper, the information-theoretic limits on the clustering accuracy and the strong consistency threshold are established, expressed in terms of the generalized Hellinger distance. Below the threshold, it is impossible to assign all vertices to their own communities, and the lower bound of the expected mismatch ratio is derived. On the other hand, the problem space is (sometimes) divided into two disjoint subspaces when above the threshold. When only the contracted adjacency matrix is given, with high probability, one-stage spectral algorithms succeed in assigning every vertex correctly in the subspace far away from the threshold but fail in the other one. Two subsequent refinement algorithms are proposed to improve the clustering accuracy, which attain the lowest possible mismatch ratio, previously derived from the information-theoretical perspective. The failure of spectral algorithms in the second subspace arises from the loss of information induced by tensor contraction. The origin of this loss and possible solutions to minimize the impact are presented. Moreover, different from uniform hypergraphs, strong consistency is achievable by aggregating information from all uniform layers, even if it is impossible when each layer is considered alone.
Motivated by social network analysis and network-based recommendation systems, we study a semi-supervised community detection problem in which the objective is to estimate the community label of a new node using the network topology and partially observed community labels of existing nodes. The network is modeled using a degree-corrected stochastic block model, which allows for severe degree heterogeneity and potentially non-assortative communities. We propose an algorithm that computes a `structural similarity metric' between the new node and each of the $K$ communities by aggregating labeled and unlabeled data. The estimated label of the new node corresponds to the value of $k$ that maximizes this similarity metric. Our method is fast and numerically outperforms existing semi-supervised algorithms. Theoretically, we derive explicit bounds for the misclassification error and show the efficiency of our method by comparing it with an ideal classifier. Our findings highlight, to the best of our knowledge, the first semi-supervised community detection algorithm that offers theoretical guarantees.
Hierarchical clustering of networks consists in finding a tree of communities, such that lower levels of the hierarchy reveal finer-grained community structures. There are two main classes of algorithms tackling this problem. Divisive ($\textit{top-down}$) algorithms recursively partition the nodes into two communities, until a stopping rule indicates that no further split is needed. In contrast, agglomerative ($\textit{bottom-up}$) algorithms first identify the smallest community structure and then repeatedly merge the communities using a $\textit{linkage}$ method. In this article, we establish theoretical guarantees for the recovery of the hierarchical tree and community structure of a Hierarchical Stochastic Block Model by a bottom-up algorithm. We also establish that this bottom-up algorithm attains the information-theoretic threshold for exact recovery at intermediate levels of the hierarchy. Notably, these recovery conditions are less restrictive compared to those existing for top-down algorithms. This shows that bottom-up algorithms extend the feasible region for achieving exact recovery at intermediate levels. Numerical experiments on both synthetic and real data sets confirm the superiority of bottom-up algorithms over top-down algorithms. We also observe that top-down algorithms can produce dendrograms with inversions. These findings contribute to a better understanding of hierarchical clustering techniques and their applications in network analysis.
We study robust community detection in the context of node-corrupted stochastic block model, where an adversary can arbitrarily modify all the edges incident to a fraction of the $n$ vertices. We present the first polynomial-time algorithm that achieves weak recovery at the Kesten-Stigum threshold even in the presence of a small constant fraction of corrupted nodes. Prior to this work, even state-of-the-art robust algorithms were known to break under such node corruption adversaries, when close to the Kesten-Stigum threshold. We further extend our techniques to the $Z_2$ synchronization problem, where our algorithm reaches the optimal recovery threshold in the presence of similar strong adversarial perturbations. The key ingredient of our algorithm is a novel identifiability proof that leverages the push-out effect of the Grothendieck norm of principal submatrices.
Homophily principle, i.e., nodes with the same labels are more likely to be connected, has been believed to be the main reason for the performance superiority of Graph Neural Networks (GNNs) over Neural Networks on node classification tasks. Recent research suggests that, even in the absence of homophily, the advantage of GNNs still exists as long as nodes from the same class share similar neighborhood patterns. However, this argument only considers intra-class Node Distinguishability (ND) but neglects inter-class ND, which provides incomplete understanding of homophily on GNNs. In this paper, we first demonstrate such deficiency with examples and argue that an ideal situation for ND is to have smaller intra-class ND than inter-class ND. To formulate this idea and study ND deeply, we propose Contextual Stochastic Block Model for Homophily (CSBM-H) and define two metrics, Probabilistic Bayes Error (PBE) and negative generalized Jeffreys divergence, to quantify ND. With the metrics, we visualize and analyze how graph filters, node degree distributions and class variances influence ND, and investigate the combined effect of intra- and inter-class ND. Besides, we discovered the mid-homophily pitfall, which occurs widely in graph datasets. Furthermore, we verified that, in real-work tasks, the superiority of GNNs is indeed closely related to both intra- and inter-class ND regardless of homophily levels. Grounded in this observation, we propose a new hypothesis-testing based performance metric beyond homophily, which is non-linear, feature-based and can provide statistical threshold value for GNNs' the superiority. Experiments indicate that it is significantly more effective than the existing homophily metrics on revealing the advantage and disadvantage of graph-aware modes on both synthetic and benchmark real-world datasets.